Information card for entry 4102700

Structure parameters

• Formula: C27 H31 Cl F5 N3 Si
• Calculated formula: C27 H31 Cl F5 N3 Si
• SMILES: [Si]1(Cl)(F)([N](C(C)(C)C)=C(N1C(C)(C)C)c1ccccc1)c1c(F)c(F)nc(F)c1F.Cc1ccccc1
• Title of publication: Selective Aromatic C-F and C-H Bond Activation with Silylenes of Different Coordinate Silicon
• Authors of publication: Anukul Jana; Prinson P. Samuel; Gašper Tavčar; Herbert W. Roesky; Carola Schulzke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 10164 - 10170
• a: 9.832 ± 0.002 Å
• b: 10.142 ± 0.002 Å
• c: 14.53 ± 0.003 Å
• α: 88.37 ± 0.03°
• β: 88.69 ± 0.03°
• γ: 71.03 ± 0.03°
• Cell volume: 1369.5 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No